2-[3-[1-(2,5-dimethylthiophen-3-yl)ethylamino]phenoxy]ethanenitrile

Systemtic Name: 2-[3-[1-(2,5-dimethylthiophen-3-yl)ethylamino]phenoxy]ethanenitrile Openeye Name: 2-[3-[1-(2,5-dimethyl-3-thienyl)ethylamino]phenoxy]acetonitrile CAS Name: 2-[3-[1-(2,5-dimethyl-3-thiophenyl)ethylamino]phenoxy]acetonitrile IUPAC Name: 2-[3-[1-(2,5-dimethylthiophen-3-yl)ethylamino]phenoxy]acetonitrile Traditional Name: 2-[3-[1-(2,5-dimethyl-3-thienyl)ethylamino]phenoxy]acetonitrile Formula: C16H18N2OS MolecularWeight: 286.39192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C(C)NC2=CC(=CC=C2)OCC#N

Isomeric SMILES

CC1=CC(=C(S1)C)C(C)NC2=CC(=CC=C2)OCC#N

InChI

InChI=1S/C16H18N2OS/c1-11-9-16(13(3)20-11)12(2)18-14-5-4-6-15(10-14)19-8-7-17/h4-6,9-10,12,18H,8H2,1-3H3